N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine

C88H92N6 — CID 136717459

About N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine

N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine (PubChem CID 136717459) has the molecular formula C88H92N6 and a molecular weight of 1233.75 g/mol. Its IUPAC name is N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

• Compound Name: N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine
• PubChem CID: 136717459
• Molecular Formula: C88H92N6
• Molecular Weight: 1233.75 g/mol
• Exact Mass: 1232.74
• IUPAC Name: N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine
• SMILES: CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(cc5[nH]c2cc5N=C(c2ccccc2)c2ccccc2)C(N=C(c2ccccc2)c2ccccc2)=C4)C=C3)cc(C(C)(C)C)c1
• InChI: InChI=1S/C88H92N6/c1-83(2,3)62-43-59(44-63(49-62)84(4,5)6)78-68-39-41-70(89-68)79(60-45-64(85(7,8)9)50-65(46-60)86(10,11)12)76-53-74(93-81(55-31-23-19-24-32-55)56-33-25-20-26-34-56)72(91-76)52-73-75(94-82(57-35-27-21-28-36-57)58-37-29-22-30-38-58)54-77(92-73)80(71-42-40-69(78)90-71)61-47-66(87(13,14)15)51-67(48-61)88(16,17)18/h19-54,89,92H,1-18H3/b72-52-,73-52-,78-68-,78-69-,79-70-,79-76-,80-71-,80-77-
• InChIKey: DTLASFZHGTUQRP-YVQBCVOGSA-N
• XLogP: 23.48
• TPSA: 82.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.75
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine?

The IUPAC name of N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine (CID 136717459) is N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine.

What is the SMILES notation for N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine?

The canonical SMILES for N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine is CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(cc5[nH]c2cc5N=C(c2ccccc2)c2ccccc2)C(N=C(c2ccccc2)c2ccccc2)=C4)C=C3)cc(C(C)(C)C)c1.

What is the InChIKey of N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine?

The InChIKey is DTLASFZHGTUQRP-YVQBCVOGSA-N. The full InChI is InChI=1S/C88H92N6/c1-83(2,3)62-43-59(44-63(49-62)84(4,5)6)78-68-39-41-70(89-68)79(60-45-64(85(7,8)9)50-65(46-60)86(10,11)12)76-53-74(93-81(55-31-23-19-24-32-55)56-33-25-20-26-34-56)72(91-76)52-73-75(94-82(57-35-27-21-28-36-57)58-37-29-22-30-38-58)54-77(92-73)80(71-42-40-69(78)90-71)61-47-66(87(13,14)15)51-67(48-61)88(16,17)18/h19-54,89,92H,1-18H3/b72-52-,73-52-,78-68-,78-69-,79-70-,79-76-,80-71-,80-77-.

What are the key properties of N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine?

N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine has a molecular weight of 1233.75 g/mol, XLogP of 23.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[18-(benzhydrylideneamino)-5,10,15-tris(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 136717459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).